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1000340-25-9 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 6-methyl-5-nitro-
CAS No: 1000340-25-9 Catalog No: AG0000E9 MDL No:
Product Description
Catalog Number:
AG0000E9
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 6-methyl-5-nitro-
CAS Number:
1000340-25-9
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
IUPAC Name:
6-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H7N3O4/c1-4-7(12(15)16)2-5-6(9(13)14)3-10-8(5)11-4/h2-3H,1H3,(H,10,11)(H,13,14)
InChI Key:
HHBKIUYSLZZLSB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(nc1C)[nH]cc2C(=O)O
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.172g/mol
Monoisotopic Mass:
221.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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